SCHEMBL19902740

SCHEMBL19902740

CCc1cccnc1C(=N)Nc1ccc(F)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.46
MAPT P10636 1/20 0.45
BLM P54132 1/20 0.38
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
BACE1 P56817 1/20 0.36
P2RY1 P47900 1/20 0.36
KMT2A Q03164 1/20 0.36
KDR P35968 2/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
CSF1R P07333 1/20 0.36
LYN P07948 1/20 0.36
KIT P10721 1/20 0.36
SRC P12931 1/20 0.36
FLT4 P35916 1/20 0.36
FLT3 P36888 1/20 0.36
BLK P51451 1/20 0.36
NAMPT P43490 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19902741 0.82 KDM4E (0.52) MAPTRAB9ANPC1NPSR1KMT2A
SCHEMBL19902756 0.76 BLM (0.42) GRM4MAPTBLMRAB9ANPC1
SCHEMBL19902735 0.75 EGLN1 (0.46) MAPTKMT2AKDM4E
SCHEMBL15886259 0.71 GRM4 (0.56) GRM4BACE1KDM4E
SCHEMBL19902738 0.68 RAB9A (0.46) GRM4MAPTRAB9ANPC1NPSR1
SCHEMBL12054147 0.68 ALDH1A1 (0.44) KDRLCKFYNCSF1RLYN
SCHEMBL16489227 0.68 GRM4 (0.48) GRM4MAPTRAB9ANPC1NPSR1
SCHEMBL15886346 0.67 TSHR (0.69) MAPTRAB9ANPC1KMT2AKDM4E
SCHEMBL25656256 0.66 KDM4E (0.43) MAPTBLMNPSR1KDM4E
SCHEMBL16489209 0.66 NPC1 (0.52) RAB9ANPC1NPSR1KMT2AKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3033337-B1 SUBSTITUTED IMIDAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS JANSSEN PHARMACEUTICA NV (BE) 2018-02-28 EP disclosed